Vitas-M small molecule compound
2-(1,3-benzothiazol-2-yl)-5-[2-(4-hydroxyphenyl)ethyl]-4-methyl-3-oxo-3,5-dihydro-2H-pyrazolo[4,3-c]pyridin-6-olate
Catalog ID
STL058703
SMILES Oc1ccc(cc1)CCn1c([O-])cc2c(c1C)c(=O)n(n2)c1nc2c(s1)cccc2
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C22H17N4O3S MW 417.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N4O3S/c1-13-20-17(12-19(28)25(13)11-10-14-6-8-15(27)9-7-14)24-26(21(20)29)22-23-16-4-2-3-5-18(16)30-22/h2-9,12,27-28H,10-11H2,1H3/p-1InChIKey
SWOWEYDIUDINKS-UHFFFAOYSA-MSynonyms
2(13benzothiazol2yl)5(2(4hydroxyphenyl)ethyl)4methyl3oxo35dihydro2Hpyrazolo(43c)pyridin6olate
2(13benzothiazol2yl)5(2(4hydroxyphenyl)ethyl)4methyl3oxopyrazolo(43c)pyridin6olate
CC1=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C=C(N1CCC5=CC=C(C=C5)O)(O)
InChI=1SC22H18N4O3Sc1132017(1219(28)25(13)1110146815(27)9714)2426(21(20)29)222316423518(16)3022h29122728H1011H21H3p1
Oc1ccc(cc1)CCn1c((O))cc2c(c1C)c(=O)n(n2)c1nc2c(s1)cccc2
Oc1ccc(cc1)CCn1c((O))cc2c(c1C)c(=O)n(n2)c1nc2c(s1)cccc2(Na+)
sodium2(benzo(d)thiazol2yl)5(4hydroxyphenethyl)4methyl3oxo35dihydro2Hpyrazolo(43c)pyridin6olate
ZINC000012389818
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